SCHEMBL1842983

SCHEMBL1842983

O=C1CC=Cc2c(O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 4/20 0.41
RECQL P46063 4/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 3/20 0.41
USP2 O75604 3/20 0.41
CYP3A4 P08684 3/20 0.41
IDO1 P14902 3/20 0.41
THRB P10828 2/20 0.41
AURKA O14965 2/20 0.41
TRPA1 O75762 2/20 0.41
TP53 P04637 2/20 0.41
P4HB P07237 2/20 0.41
CASP1 P29466 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5031420 0.80 ALDH1A1 (0.35) MAPTKMT2AMEN1ALDH1A1ALOX15
SCHEMBL17577745 0.77 ACHE (0.37) KMT2AMEN1ALDH1A1LMNAPARP1
SCHEMBL28929035 0.77 PIM1 (0.38) ALDH1A1MAPK1CA1CA2CA7
SCHEMBL29575376 0.75 PGAM1 (0.37) STAT3
SCHEMBL9773689 0.75 PGAM1 (0.37) STAT3
SCHEMBL18368348 0.74 DPP4 (0.37) KMT2AHPGDCYP3A4BLMTSHR
SCHEMBL23529900 0.72 PTPRC (0.60) MAPTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL13930824 0.72 ALDH1A1 (0.32) ALDH1A1KDM4ESMN1; SMN2HSD11B1
SCHEMBL30489886 0.72
SCHEMBL28965167 0.72 CA12 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184516-A Preparation method of N1, N5-disubstituted-1, 5-naphthalene diamine compound 台州学院 2024-06-14 CN disclosed
EP-2321266-A2 SUBSTITUTED AMINOTETRALINES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010018109-A2 SUBSTITUTED AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed